N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide

C15H12Cl3FN2O3S — CID 1290563

IUPACN-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3FN2O3S/c1-25(23,24)21(10-3-4-11(16)12(17)7-10)8-15(22)20-9-2-5-14(19)13(18)6-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPFHCHPZKNUDVFD-UHFFFAOYSA-N
MW425.70 g/mol
LogP4.19
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide

N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 1290563) has the molecular formula C15H12Cl3FN2O3S and a molecular weight of 425.70 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID1290563
Molecular FormulaC15H12Cl3FN2O3S
Molecular Weight425.70 g/mol
Exact Mass423.96
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Cl3FN2O3S/c1-25(23,24)21(10-3-4-11(16)12(17)7-10)8-15(22)20-9-2-5-14(19)13(18)6-9/h2-7H,8H2,1H3,(H,20,22)
InChIKeyPFHCHPZKNUDVFD-UHFFFAOYSA-N
XLogP4.19
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.70
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichloro-N-methylsulfonylanilino)-N-(4-fluorophenyl)acetamide
CID 1315632
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-phenylacetamide
CID 1260653
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
N-(3-chloro-4-fluorophenyl)-2-(2,6-difluoro-N-methylsulfonylanilino)acetamide
CID 113157653
N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]acetamide
CID 30391020
2-(3,4-dichloro-N-methylsulfonylanilino)-N-(2-fluorophenyl)acetamide
CID 2290634
N-(3-acetylphenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 126032035
N-(3,5-dichlorophenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)acetamide
CID 9173126
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[4-(phenylsulfanylmethyl)phenyl]acetamide
CID 2239417
ethyl 2-chloro-5-[[2-(3,4-difluoro-N-methylsulfonylanilino)acetyl]amino]benzoate
CID 46764450
2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-propylacetamide
CID 2226135

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide (CID 1290563) is N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is PFHCHPZKNUDVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl3FN2O3S/c1-25(23,24)21(10-3-4-11(16)12(17)7-10)8-15(22)20-9-2-5-14(19)13(18)6-9/h2-7H,8H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 425.70 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 1290563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).